input word = C00032062

Metabolite InformationStructural formula
Name Neocaesalpin H
Dipteryxic acid
Formula C20H28O5
Mw 348.193674
CAS RN 538357-65-2
C_ID C00032062 ,
InChIKey YWQJKAJFLCNHPB-SWIYCNLMNA-N
InChICode InChI=1S/C20H28O5/c1-11-12-5-6-15-18(2,7-4-8-19(15,3)17(22)23)14(12)10-20(24)13(11)9-16(21)25-20/h9,11-12,14-15,24H,4-8,10H2,1-3H3,(H,22,23)/t11-,12+,14+,15-,18-,19-,20-/m1/s1
SMILES [C@@]12(C(=CC(=O)O2)[C@@H]([C@H]2[C@H](C1)[C@@]1([C@@H](CC2)[C@@](CCC1)(C(=O)O)C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia crista L. Ref.
PlantaeFabaceaeDipteryx odorata Ref.
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